Mol:FL5FAACS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.9848 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2404 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2404 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9203 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5065 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5065 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9203 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6786 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1647 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7936 -1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1181 -0.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5857 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6786 -1.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3722 -1.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 -0.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9841 -0.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 -0.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 3 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 2 23 1 0 0 0 0 29 1 1 0 0 0 0 8 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 ^CH2OH M SBV 1 34 -6.4322 7.4971 S SKP 8 ID FL5FAACS0001 KNApSAcK_ID C00006090 NAME 6-C-Glucopyranosylkaempferol;6-beta-D-Glucopyranosyl-3,5,7,4'-tetrahydroxyflavone;6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 28225-10-7 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)2)cc(c(c2O)C(C(O)1)OC(CO)C(O)C1O)O M END